CID 67339

Stearoyl sarcosine

Structural Information

Molecular Formula
C21H41NO3
SMILES
CCCCCCCCCCCCCCCCCC(=O)N(C)CC(=O)O
InChI
InChI=1S/C21H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25/h3-19H2,1-2H3,(H,24,25)
InChIKey
RJYOKYDKKOFLBT-UHFFFAOYSA-N
Compound name
2-[methyl(octadecanoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2150
Patents

355.30865 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.31593 195.7
[M+Na]+ 378.29787 200.5
[M+NH4]+ 373.34247 212.1
[M+K]+ 394.27181 194.3
[M-H]- 354.30137 193.1
[M+Na-2H]- 376.28332 193.9
[M]+ 355.30810 195.1
[M]- 355.30920 195.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe